醛固酮21-硫酸盐
TL;DR: 醛固酮21-硫酸盐 (CAS 52036-29-0) is a chemical compound with molecular formula C21H28O8S and molecular weight 440.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
醛固酮21-硫酸盐
[2-[(8S,9S,10R,11S,13R,14S,17S)-13-formyl-11-hydroxy-10-methyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] hydrogen sulfate
Also Known As: Aldosterone 21-sulfate, Aldosterone 21-sulfate (sodium salt), [2-[(8S,9S,10R,11S,13R,14S,17S)-13-formyl-11-hydroxy-10-methyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] hydrogen sulfate, 11-Hydroxy-3,18,20-trioxopregn-4-en-21-yl hydrogen sulfate, 11beta-Hydroxy-3,18,20-trioxopregn-4-en-21-yl hydrogen sulfate
| Molecular Formula | C21H28O8S |
|---|---|
| Molecular Weight | 440.15 g/mol |
| LogP | 0.7 |
| Topological Polar Surface Area | 143.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 440.15048 |
| Heavy Atoms | 30 |
| Complexity | 902.0 |
Chemical Identifiers
| CAS Number | 52036-29-0 |
|---|---|
| SMILES | C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@H]2[C@H](C[C@]4([C@H]3CC[C@@H]4C(=O)COS(=O)(=O)O)C=O)O |
| InChIKey | LWCMITUCQRJZGP-ZVIOFETBSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
醛固酮21-硫酸盐 (CAS 52036-29-0), with molecular formula C21H28O8S and molecular weight 440.15 g/mol. IUPAC: [2-[(8S,9S,10R,11S,13R,14S,17S)-13-formyl-11-hydroxy-10-methyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] hydrogen sulfate.
Chemical Property Profile of 醛固酮21-硫酸盐
Property Insights of 醛固酮21-硫酸盐
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 醛固酮21-硫酸盐. The TPSA of 143.0 Ų indicates high polarity, suggesting 醛固酮21-硫酸盐 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 醛固酮21-硫酸盐 has 2 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 醛固酮21-硫酸盐?
The CAS number of 醛固酮21-硫酸盐 is 52036-29-0.
What is the molecular formula of 醛固酮21-硫酸盐?
The molecular formula of 醛固酮21-硫酸盐 is C21H28O8S.
What is the molecular weight of 醛固酮21-硫酸盐?
The molecular weight of 醛固酮21-硫酸盐 is 440.15 g/mol.
Where can I buy 醛固酮21-硫酸盐?
You can request a quote for 醛固酮21-硫酸盐 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 醛固酮21-硫酸盐?
Yes, KEHONG BIO provides custom synthesis services for 醛固酮21-硫酸盐 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.